REMARK  Name = BDB059250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.965  -1.460   1.265  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.820  -0.520   0.486  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1       -0.372   0.172   0.378  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.563   0.795  -0.405  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.942  -0.068  -0.376  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        3.250  -0.243   0.103  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        4.355   0.160  -0.660  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1        4.124   0.733  -1.921  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.826   0.892  -2.411  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.733   0.488  -1.643  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1        5.723  -0.003  -0.183  0.00  0.00    +0.248 A 
ATOM     12  O   LIG    1        5.902  -0.583   1.048  0.00  0.00    -0.423 OA
ATOM     13  C   LIG    1        7.259  -0.572   1.158  0.00  0.00    +0.332 A 
ATOM     14  N   LIG    1        7.865  -0.044   0.122  0.00  0.00    -0.116 NA
ATOM     15  N   LIG    1        6.865   0.328  -0.754  0.00  0.00    -0.108 NA
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  N   LIG    1       -1.606  -0.538   0.941  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1       -1.329  -1.351   1.516  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -2.699  -1.070  -0.266  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1       -2.793  -2.507  -0.125  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1       -2.317  -0.454  -1.522  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -4.212  -0.357   0.271  0.00  0.00    +0.142 A 
ATOM     22  C   LIG    1       -4.333   1.026   0.285  0.00  0.00    +0.150 A 
ATOM     23  F   LIG    1       -3.316   1.818  -0.082  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1       -5.525   1.619   0.694  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1       -6.599   0.819   1.087  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -6.479  -0.573   1.069  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.284  -1.167   0.659  0.00  0.00    +0.031 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 5